(neopentyl)gallium dichloride | 113976-11-7

• 分子结构分类: 有机化合物 - 有机金属化合物 - 金属烷基卤化物
• 英文名称: (neopentyl)gallium dichloride
• 英文别名: Dichloro(2,2-dimethylpropyl)gallane
• CAS: 113976-11-7
• 化学式: C₅H₁₁Cl₂Ga
• 分子量: 211.771
• InChiKey: ZICWRTKLWNTRJO-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  3.0
• 重原子数：
  8
• 可旋转键数：
  1
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  (neopentyl)gallium dichloride 在 Na/naphthalene 、 HCl 作用下， 以 四氢呋喃 为溶剂， 生成 trineopentyl gallium
  参考文献：
  名称：

  Low Oxidation State Gallium Compounds Synthesis and Characterization of [Ga(CH2CMe3)]n

  摘要：

  The new organogallium(I) compound [Ga(CH2CMe3)]n has been prepared by the reduction of Ga(CH2CMes)2CI by using either sodium or lithium with naphthalene in THF. When the reagents were combined at -78-degrees-C, a yellow intermediate, a neopentylgallium(III) derivative of dihydronaphthalene C10H8[Ga(CH2CMe3)2]2.2MCl (M = Li, Na) was formed. Warming of the solution to 0-25-degrees-C resulted in decomposition of the yellow intermediate and formation of a reddish brown solution of [Ga(CH2CMe3)]n, Ga(CH2CMe3)3, C10H8, and either NaCl or LiCl. The gallium(I) product was a vitreous solid and was characterized by complete elemental analyses, hydrolyses with HCl/H2O and with DCl/D2O, oxidation with HgCl2 and with I2, cryoscopic molecular weight studies in benzene solution, and IR and NMR spectroscopic studies. All data support the conclusion that [Ga(CH2CMe3)]n exists as a mixture of species which are gallium cages. The numbers of gallium atoms in these cages might range from 6 to 12 atoms.

  DOI：

  10.1021/om00019a051
• 作为产物：
  描述：

  trineopentyl gallium 、 氯化镓 以 正戊烷 为溶剂， 以85.5%的产率得到(neopentyl)gallium dichloride
  参考文献：
  名称：

  Beachley; Pazik, Organometallics, 1988, vol. 7, # 7, p. 1516 - 1519

  摘要：

  DOI：

文献信息

• Gallium and indium compounds containing three different substituents. Crystal and molecular structure of [(Me3CCH2)ClGaPPh2]3
  作者：O.T. Beachley、John D. Maloney、Robin D. Rogers

  DOI：10.1016/0022-328x(93)80108-n

  日期：1993.5

  and (Me3CCH2)ClInPPh2, have been prepared and characterized. All compounds were characterized by partial elemental analysis, cryoscopic molecular weight studies in benzene solution, and NMR and IR spectroscopic data. All three compounds exist as trimeric molecules in solution. NMR spectral data were consistent with the presence of multiple isomers of the trimers. The compound [(MC3CCH2)ClGaPPh2]3 crystallizes

  制备并表征了三种新的较重的13族元素化合物，它们包含三个不同的取代基（Me 3 CCH 2）ClGaPPh 2，（Me 3 CCH 2）BrGaPPh 2和（Me 3 CCH 2）ClInPPh 2。所有化合物均通过部分元素分析，在苯溶液中的低温分子量研究以及NMR和IR光谱数据进行了表征。所有这三种化合物都以三聚体分子的形式存在于溶液中。NMR光谱数据与三聚体的多种异构体的存在一致。化合物[（MC 3 CCH 2）ClGaPPh 2 ] 3结晶的偏心空间群在光合速率2 1一个带有一个= 17.741（9）埃，b = 13.942（6）和C ^ = 21.574（8）。在Enraf-Nonius CAD-4衍射仪上收集衍射数据，并针对[ F o >s-5σ（F o）]的2971次反射将结构精炼为R = 4.6％和R w = 6.0％。GaP六元环具有典型的椅子构型，且新戊基占据E，A，A位。感兴趣的距离包括GaCl=
• Organo Group 13 metal complexes of d-block elements
  作者：Roland A. Fischer、Thomas Priermeier、Wolfgang Scherer

  DOI：10.1016/0022-328x(93)86056-n

  日期：1993.10

  Novel, mixed substituted organogallium compounds of the type (R1)(R2)Ga[(CH2)3NR22] (R1, R2 = Cl, BH4, alkyl, eta5-C5H5)(CO)2Fe; R = CH3, C2H5) have been synthesized and fully characterized. These compounds are stabilized by intramolecular adduct formation at the gallium centre. The solid state structures of [(eta5-C5H5)(CO)2]FeGa(CH2)3N(CH3)2](R1) (3a: R1 = C2H5; 3d: R1 = BH4) exhibit Fe-Ga bond lengths of 245.65(4) pm and 237.5(1) pm respectively. The Ga-B distance in 3d amounts to 237.4(3) pm. Remarkably pure Fe/Ga thin films were grown from 3d by low pressure OMCVD. The BH4 group reduces both the decomposition temperature of the single source precursor and the degree of contamination by carbon of the mixed metal thin films.
• BEACHLEY, O. T. (JR);PAZIK, J. C., ORGANOMETALLICS, 7,(1988) N 7, C. 1516-1519
  作者：BEACHLEY, O. T. (JR)、PAZIK, J. C.

  DOI：——

  日期：——
• Beachley; Pazik, Organometallics, 1988, vol. 7, # 7, p. 1516 - 1519
  作者：Beachley、Pazik

  DOI：——

  日期：——
• Low Oxidation State Gallium Compounds Synthesis and Characterization of [Ga(CH2CMe3)]n
  作者：O. T. Beachley、John C. Pazik、Matthew J. Noble

  DOI：10.1021/om00019a051

  日期：1994.7

  The new organogallium(I) compound [Ga(CH2CMe3)]n has been prepared by the reduction of Ga(CH2CMes)2CI by using either sodium or lithium with naphthalene in THF. When the reagents were combined at -78-degrees-C, a yellow intermediate, a neopentylgallium(III) derivative of dihydronaphthalene C10H8[Ga(CH2CMe3)2]2.2MCl (M = Li, Na) was formed. Warming of the solution to 0-25-degrees-C resulted in decomposition of the yellow intermediate and formation of a reddish brown solution of [Ga(CH2CMe3)]n, Ga(CH2CMe3)3, C10H8, and either NaCl or LiCl. The gallium(I) product was a vitreous solid and was characterized by complete elemental analyses, hydrolyses with HCl/H2O and with DCl/D2O, oxidation with HgCl2 and with I2, cryoscopic molecular weight studies in benzene solution, and IR and NMR spectroscopic studies. All data support the conclusion that [Ga(CH2CMe3)]n exists as a mixture of species which are gallium cages. The numbers of gallium atoms in these cages might range from 6 to 12 atoms.